Solvated ensemble averaging in the calculation of partial atomic charges

Journal of Computational Chemistry

Volumn 22, Issue 11, 2001, Pages 1125-1137

  Basma, M ^a   Sundara, S ^a   Calgan D ^b   Vernali, T ^b   Woods, R J ^a  

^a UNIVERSITY OF GEORGIA   (United States)

^b BOGAZICI UNIVERSITY   (Turkey)

Author keywords

AMBER; Carbohydrate; GLYCAM; Molecular dynamics simulations; Partial charges

Indexed keywords

EID: 0035425778     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1072     Document Type: Article

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